SCHEMBL25824669

SCHEMBL25824669

CCCC(CCC)CNc1cccc(N[C@@H](C)CN)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25824662 1.00 TSHR (0.36) TSHRHSD17B10MAPTGAANPSR1
SCHEMBL25824667 0.88 CYP3A4 (0.38) TSHRHSD17B10MAPTGAANPSR1
SCHEMBL25824658 0.88 CYP3A4 (0.38) TSHRHSD17B10MAPTGAANPSR1
SCHEMBL25824613 0.81 CYP1A2 (0.40) TSHRHSD17B10MAPTS1PR4S1PR1
SCHEMBL3128383 0.73 S1PR1 (0.50) S1PR4S1PR1S1PR5
SCHEMBL22414327 0.72 MAPT (0.46) TSHRMAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL2150930 0.72 ADRB2 (0.39) TSHRHIF1AADRB2ADRB1ADRB3
SCHEMBL2150483 0.71 AKR1C3 (0.40) TSHRHSD17B10MAPTS1PR4S1PR1
SCHEMBL15946012 0.71 S1PR1 (0.53) S1PR4S1PR1S1PR5
SCHEMBL21941646 0.71 TP53 (0.40) TSHRHSD17B10MAPTS1PR4S1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TSHR 2971/4885HSD17B10 167/4885MAPT 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.